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	hartrees
Energy at 0K	-157.530872
Energy at 298.15K
HF Energy	-157.125930
Nuclear repulsion energy	39.173930

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1124	1124	4.92
2	A₁	737	737	123.97
3	B₂	467	467	0.27

Atom	y (Å)	z (Å)
Li1	0.000	1.394
O2	0.678	-0.261
O3	-0.678	-0.261

	Li1	O2	O3
Li1		1.7886	1.7886
O2	1.7886		1.3562
O3	1.7886	1.3562

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Li1	O2	O3	67.721		Li1	O3	O2	67.721
O2	Li1	O3	44.558

All results from a given calculation for LiO₂ (Lithium dioxide)

using model chemistry: QCISD/daug-cc-pVDZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for LiO2 (Lithium dioxide)

using model chemistry: QCISD/daug-cc-pVDZ

States and conformations

All results from a given calculation for LiO₂ (Lithium dioxide)